_____________________________________________________________ 
ANALYSIS FOR TRIMETHYL LEAD (IV) CHLORIDE            [DPD] 
_____________________________________________________________

Formula           : C3,H9,PB1,CL1                                      
Solution chemistry: PB1,[C1,H3]3 +1                                    
All distances below are to the element PB [ lead         ]


PROTEIN:  1CTS CITRATE SYNTHASE (PIG)                              


Bound Ligands :  CIT CITRATE ION:
Hev Atom conc.: 	  20.000 mM  
Precip & conc.: 	          	                                                    
Buffer & conc.: 	   2.200 M	SODIUM/POTASSIUM PHOSPHATE                          
Addict & conc.: 	   0.002 M	ATP                                                 
Comments      :                                                     
Reference     : REMINGTON et.al. 1982 :WIEGAND et.al. 1979 :                                                                                                            
pH    7.4   Soak time =           Hours   Reference number =  48.02  
Site 1:  75  GLN A OE1   3.83 ( 7.00) . . T  
      :  85  GLU A O     5.92 ( 7.77) . . T  
      :  86  GLU A OE1   5.30 ( 7.87) . . T  
      : 332  CYS A SG    5.93 ( 6.52) . . T  
      : 335  GLU A OE1   2.56 ( 5.69) . . T  
      : 339  LYS A NZ    4.86 ( 9.20) . . T  
      :  75  GLN   OE1   5.24 ( 7.63) . . H  
      :  85  GLU   OE2   5.29 ( 5.53) . . T  
      :  86  GLU   OE1   1.86 ( 5.17) . . T  
      : 230  LEU   CD1   5.96 ( 7.87) . . H  
      : 332  CYS   O     5.08 ( 6.55) . . H  
      : 335  GLU   OE1   5.66 ( 5.84) . . H  
      : 336  PHE   CE2   5.91 ( 5.00) . . H  
      : 339  LYS   NZ    3.97 ( 7.77) . . H  


PROTEIN:  1FC2 IMMUNOGLOBULIN FC - FRAGMENT B COMPLEX              


Bound Ligands :  NAG N-ACETYL-D-GLUCOSAMINE: FUC FUCOSE: MAN ALPHA-D-MANNOSE: GAL D-GALACTOSE: SO4 SULFATE:
Hev Atom conc.: 	  50.000 mM  
Precip & conc.: 	   2.000 M	AMMONIUM SULPHATE                                   
Buffer & conc.: 	   0.200 M	ACETATE                                             
Addict & conc.: 	          	                                                    
Comments      :                                                     
Reference     : DEISENHOFER et.al. 1978 :                                                                                                                               
pH    4.1   Soak time =           Hours   Reference number = 242.00  
Site 1: 386  GLN D OE1   5.38 ( 8.75) . . E  
      : 147  ASN C OD1   4.90 ( 8.25) . . .  
      : 279  VAL D CG1   4.92 ( 7.11) . . E  
      : 309  LEU D CD1   3.57 ( 6.32) . . E  
      : 311  GLN D NE2   5.92 ( 8.11) . . .  
      : 312  ASN D OD1   3.66 ( 5.81) . . .  
      : 317  LYS D NZ    3.33 ( 8.23) . . .  
      : 319  TYR D OH    5.87 (10.49) . . E  
Site 2: 383  SER D O     5.42 ( 7.25) . . .                             
      : 384  ASN D OD1   4.20 ( 4.68) . . .                             
      : 385  GLY D N     5.36 ( 6.26) . . .                             
      : 386  GLN D OE1   5.04 ( 7.55) . . E                             
      : 151  GLN C OE1   4.85 ( 9.21) . . .                             
      : 154  LYS C NZ    5.41 (10.98) . . . [Het: SO4 S   - NZ   3.60]  
      : 287  ALA D O     5.32 ( 5.81) . . .                             
      : 288  LYS D CD    5.73 ( 6.30) . . .                             
      : 307  THR D OG1   5.46 ( 6.74) . . E                             
      : 309  LEU D CD2   5.41 ( 7.20) . . E                             
      :  10  SO4 C S     3.98 (-1.00) . . .